1-(difluoromethyl)-3-methylpyrazolidine-4-sulfonamide

C5H11F2N3O2S — CID 90088473

IUPAC1-(difluoromethyl)-3-methylpyrazolidine-4-sulfonamide
SMILESCC1NN(C(F)F)CC1S(N)(=O)=O
InChIInChI=1S/C5H11F2N3O2S/c1-3-4(13(8,11)12)2-10(9-3)5(6)7/h3-5,9H,2H2,1H3,(H2,8,11,12)
InChIKeyPYOWTOUIYDFESS-UHFFFAOYSA-N
MW215.22 g/mol
LogP-0.93
Rot. Bonds2

About 1-(difluoromethyl)-3-methylpyrazolidine-4-sulfonamide

1-(difluoromethyl)-3-methylpyrazolidine-4-sulfonamide (PubChem CID 90088473) has the molecular formula C5H11F2N3O2S and a molecular weight of 215.22 g/mol. Its IUPAC name is 1-(difluoromethyl)-3-methylpyrazolidine-4-sulfonamide.

Molecular Properties

Compound Name1-(difluoromethyl)-3-methylpyrazolidine-4-sulfonamide
PubChem CID90088473
Molecular FormulaC5H11F2N3O2S
Molecular Weight215.22 g/mol
Exact Mass215.05
IUPAC Name1-(difluoromethyl)-3-methylpyrazolidine-4-sulfonamide
SMILESCC1NN(C(F)F)CC1S(N)(=O)=O
InChIInChI=1S/C5H11F2N3O2S/c1-3-4(13(8,11)12)2-10(9-3)5(6)7/h3-5,9H,2H2,1H3,(H2,8,11,12)
InChIKeyPYOWTOUIYDFESS-UHFFFAOYSA-N
XLogP-0.93
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.22
LogP ≤ 5-0.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

Analyze 1-(difluoromethyl)-3-methylpyrazolidine-4-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethyl)-3-methylpyrazolidine-4-sulfonamide?
The IUPAC name of 1-(difluoromethyl)-3-methylpyrazolidine-4-sulfonamide (CID 90088473) is 1-(difluoromethyl)-3-methylpyrazolidine-4-sulfonamide.
What is the SMILES notation for 1-(difluoromethyl)-3-methylpyrazolidine-4-sulfonamide?
The canonical SMILES for 1-(difluoromethyl)-3-methylpyrazolidine-4-sulfonamide is CC1NN(C(F)F)CC1S(N)(=O)=O.
What is the InChIKey of 1-(difluoromethyl)-3-methylpyrazolidine-4-sulfonamide?
The InChIKey is PYOWTOUIYDFESS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11F2N3O2S/c1-3-4(13(8,11)12)2-10(9-3)5(6)7/h3-5,9H,2H2,1H3,(H2,8,11,12).
What are the key properties of 1-(difluoromethyl)-3-methylpyrazolidine-4-sulfonamide?
1-(difluoromethyl)-3-methylpyrazolidine-4-sulfonamide has a molecular weight of 215.22 g/mol, XLogP of -0.93, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethyl)-3-methylpyrazolidine-4-sulfonamide is sourced from PubChem (CID 90088473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).